SCHEMBL12802012

SCHEMBL12802012

C=CCc1cc(CCCC)cc(CCCC)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PTGS2 P35354 3/20 0.42
CYP3A4 P08684 1/20 0.42
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
GPR84 Q9NQS5 2/20 0.41
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
SKP2 Q13309 1/20 0.37
TSHR P16473 1/20 0.37
XDH P47989 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12802571 0.86 ALDH1A1 (0.39) HPGDNPSR1CYP3A4THRBCNR2
SCHEMBL16744053 0.86 ALDH1A1 (0.39) HPGDNPSR1CYP3A4THRBCNR2
SCHEMBL12802375 0.84 XIAP (0.46) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL12802457 0.83 TSHR (0.48) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL12802455 0.83 TSHR (0.54) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL7188791 0.83 THRB (0.55) HPGDPTGS2CYP3A4THRATHRB
SCHEMBL2002090 0.81 HPGD (0.61) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL1780397 0.78 HPGD (0.45) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL27994037 0.78 HPGD (0.58) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL215399 0.78 XDH (0.50) HPGDNPSR1CYP3A4CNR2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9587042-B2 Process for producing modified conjugated diene-based polymer, modified conjugated diene-based polymer, and polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-03-07 US disclosed
CN-102731722-B For the production of the method for modified conjugated diene polymer, modified conjugated diene polymer and polymer composition SUMITOMO CHEMICAL CO., LTD. (JP) 2016-03-16 CN disclosed
US-8933165-B2 Method for producing modified conjugated diene-based polymer, and method for producing polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-13 US disclosed
US-8835564-B2 Method for producing modified conjugated diene-based polymer, and method for producing polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-16 US disclosed
US-20140088256-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHOD FOR PRODUCING POLYMER COMPOSITION ZEON CORPORATION (JP) 2014-03-27 US disclosed
US-20140088242-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHOD FOR PRODUCING POLYMER COMPOSITION ZEON CORPORATION (JP) 2014-03-27 US disclosed
CN-102731722-A Process for producing modified conjugated diene-based polymer, modified conjugated diene-based polymer, and polymer composition SUMITOMO CHEMICAL CO 2012-10-17 CN disclosed
US-20120252966-A1 PROCESS FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, MODIFIED CONJUGATED DIENE-BASED POLYMER, AND POLYMER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED 2012-10-04 US disclosed